methyl 4-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[2-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(tetrahydrofurfuryloxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC3CCCO3

InChI

InChI=1S/C21H22N2O5S/c1-26-20(25)15-10-8-14(9-11-15)19(24)23-21(29)22-17-6-2-3-7-18(17)28-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H2,22,23,24,29)